N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide

C10H14ClIN2O2S — CID 114260649

IUPACN-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C10H14ClIN2O2S/c1-2-13-5-6-17(15,16)14-10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGFJGMALOCXUYSI-UHFFFAOYSA-N
MW388.66 g/mol
LogP2.30
Rot. Bonds6

About N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide

N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 114260649) has the molecular formula C10H14ClIN2O2S and a molecular weight of 388.66 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID114260649
Molecular FormulaC10H14ClIN2O2S
Molecular Weight388.66 g/mol
Exact Mass387.95
IUPAC NameN-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C10H14ClIN2O2S/c1-2-13-5-6-17(15,16)14-10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGFJGMALOCXUYSI-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973635
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-[(2-chloro-5-iodophenyl)methyl]ethanamine
CID 69098832
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide (CID 114260649) is N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is GFJGMALOCXUYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O2S/c1-2-13-5-6-17(15,16)14-10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide?
N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 388.66 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 114260649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).